In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2006 | 30 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.52 | 10.26 | -62.25 | 0 | 5 | -1 | 70 | 406.502 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.96 | 10.88 | -13.74 | 1 | 5 | 0 | 67 | 407.51 | 6 | ↓ |